CID 3062489

7,8-dimethoxy-5h-imidazo(2,1-c)(1,4)benzodiazepine

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₂

SMILES

COC1=C(C=C2C(=C1)CN3C=CN=C3C=N2)OC

InChI

InChI=1S/C13H13N3O2/c1-17-11-5-9-8-16-4-3-14-13(16)7-15-10(9)6-12(11)18-2/h3-7H,8H2,1-2H3

InChIKey

AZFXZBBJFCADOP-UHFFFAOYSA-N

Compound name

7,8-dimethoxy-10H-imidazo[2,1-c][1,4]benzodiazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.10077 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.108046	151.9
[M+Na]+	266.089988	162.1
[M-H]-	242.093494	155.7
[M+NH4]+	261.134593	168.8
[M+K]+	282.063928	162.1
[M+H-H2O]+	226.098030	143.7
[M+HCOO]-	288.098971	171.6
[M+CH3COO]-	302.114621	164.4
[M+Na-2H]-	264.075436	158.8
[M]+	243.10022142	153.9
[M]-	243.10131858	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.